Chem
J-GLOBAL ID：200907056032350840   Nikkaji number：J188.446H

(S)-2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-2,3-dihydro-8-hydroxy-4H-1-benzopyran-4-one

(S)-2-(3,4-ジヒドロキシフェニル)-7-(β-D-グルコピラノシルオキシ)-2,3-ジヒドロ-8-ヒドロキシ-4H-1-ベンゾピラン-4-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H22O11
Molecular formula furigana： C21-H22-O11
Molecular weight： 450.396
InChI： InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14-,15+,16+,18-,19+,21+/m0/s1
InChI key： DGGOLFCPSUVVHX-RTHJTPBESA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc3C(=O)C[C@H](Oc3c2O)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (S)-2-(3,4-ジヒドロキシフェニル)-7-(β-D-グルコピラノシルオキシ)-2,3-ジヒドロ-8-ヒドロキシ-4H-1-ベンゾピラン-4-オン
  • (2S)-2-(3,4-ジヒドロキシフェニル)-8-ヒドロキシ-7-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
Other name (1)：
  • (S)-2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-2,3-dihydro-8-hydroxy-4H-1-benzopyran-4-one
CAS registry number： 577-38-8
Regulation number (1)：
  • EINECS2094111
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